12-(2-Hydroxypropan-2-yl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid
Internal ID | da752f8e-e540-4326-ac61-c134c0f3a0af |
Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
IUPAC Name | 12-(2-hydroxypropan-2-yl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid |
SMILES (Canonical) | CC1(CCCC2(C1CCC3=CC4(CCC32OO4)C(C)(C)O)C)C(=O)O |
SMILES (Isomeric) | CC1(CCCC2(C1CCC3=CC4(CCC32OO4)C(C)(C)O)C)C(=O)O |
InChI | InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22) |
InChI Key | FPDDUPUDFYVZHW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O5 |
Molecular Weight | 350.40 g/mol |
Exact Mass | 350.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 76.00 Ų |
XlogP | 2.40 |
There are no found synonyms. |
![2D Structure of 12-(2-Hydroxypropan-2-yl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid 2D Structure of 12-(2-Hydroxypropan-2-yl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/ac9afca0-85c5-11ee-9345-ade19d14b3ab.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.51% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.84% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.51% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.70% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.97% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 85.79% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.65% | 91.19% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.44% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.29% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.25% | 86.33% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.08% | 93.04% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.91% | 97.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Juniperus thurifera |
Pinus yunnanensis |
PubChem | 85258492 |
LOTUS | LTS0120585 |
wikiData | Q104999098 |